Vitas-M small molecule compound
methyl (4Z)-1-(4-chlorophenyl)-4-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK165153
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)C)C)c1ccc(cc1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H25ClN2O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3/c1-16-6-10-22(11-7-16)29-17(2)14-20(18(29)3)15-24-25(27(32)33-5)19(4)30(26(24)31)23-12-8-21(28)9-13-23/h6-15H,1-5H3/b24-15-InChIKey
XSWFHNMYUKNAJG-IWIPYMOSSA-NSynonyms
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)C4=CC=C(C=C4)Cl)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)C)C)c1ccc(cc1)Cl
InChI=1SC27H25ClN2O3c11661022(11716)2917(2)1420(18(29)3)152425(27(32)335)19(4)30(26(24)31)2312821(28)91323h615H15H3b2415
METHYL(4Z)1(4CHLOROPHENYL)4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(4CHLOROPHENYL)4((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL1(4CHLOROPHENYL)4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03067996
ZINC000014010083
ZINC14010083
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.